Cas no 64131-94-8 (1,2-Benzenediol, 4-(methylthio)-)
64131-94-8 structure
Product Name:1,2-Benzenediol, 4-(methylthio)-
CAS No:64131-94-8
MF:C7H8O2S
MW:156.202220916748
CID:424925
PubChem ID:15268940
Update Time:2025-04-19
1,2-Benzenediol, 4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-(methylthio)-
- 4-methylsulfanylbenzene-1,2-diol
- SCHEMBL2122382
- DTXSID40570737
- 4-(Methylsulfanyl)benzene-1,2-diol
- 64131-94-8
- 4(methylmercapto)-catechol
-
- Inchi： 1S/C7H8O2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
- InChI Key： TZTSPEAYXRJPDA-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(=C(C=1)O)O
Computed Properties
- Exact Mass: 156.02454
- Monoisotopic Mass: 156.02450067g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 65.8?2
Experimental Properties
- PSA: 40.46
1,2-Benzenediol, 4-(methylthio)- Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
64131-94-8 (1,2-Benzenediol, 4-(methylthio)-) Related Products
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